Acetone → 4-(1,1-Dioxo-1H-benzo[b]thiophen-6-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile
Reaction equation
[CH3:45][O:46][CH2:47][CH2:48][OH:49].[CH3:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55].[CH3:56][C:57](=[O:58])[CH3:59].[Cl:1][c:2]1[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[cH:7][c:8]([O:15][CH2:16][CH3:17])[c:9]([O:12][CH2:13][CH3:14])[cH:10][c:11]12.[ClH:32].[NH2:20][c:21]1[cH:22][cH:23][c:24]2[c:25]([cH:31]1)[S:26](=[O:29])(=[O:30])[CH:27]=[CH:28]2.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[OH2:60].[n:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[c:2]1([NH:20][c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:31]2)[S:26](=[O:29])(=[O:30])[CH:27]=[CH:28]3)[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[cH:7][c:8]([O:15][CH2:16][CH3:17])[c:9]([O:12][CH2:13][CH3:14])[cH:10][c:11]12Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-cc3d73e1bf5b44e9ac45965abf4b3981
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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